1-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Traditional Name: N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-1-tosyl-isonipecotamide Formula: C25H40N3O3S+ MolecularWeight: 462.6684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H39N3O3S/c1-21-8-10-23(11-9-21)32(30,31)28-18-12-22(13-19-28)24(29)26-20-25(14-4-2-5-15-25)27-16-6-3-7-17-27/h8-11,22H,2-7,12-20H2,1H3,(H,26,29)/p+1